Boc-D-Asn-ONp

HCID 78334

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Basic information

CAS: 4587-33-1
Standard SMILES: CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIKey: IAPXDJMULQXGDD-LLVKDONJSA-N
Molecular formula: C15H19N3O7
Average molar mass: 353.33 g/mol
Monoisotopic mass: 353.12229995

Names & identifiers

Preferred name: Boc-D-Asn-ONp
IUPAC: (4-nitrophenyl) (2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
English name: Boc-Asn-ONp
Molecular formula: C15H19N3O7
Molecular weight: 353.33

Names & synonyms

Boc-D-Asn-ONp104199-82-8(R)-4-Nitrophenyl 4-amino-2-((tert-butoxycarbonyl)amino)-4-oxobutanoateMFCD00065559Boc-D-asparagine 4-nitrophenyl ester(4-nitrophenyl) (2R)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoateNalpha-Boc-D-asparagine 4-nitrophenyl esterBoc-L-asparagine 4-nitrophenyl esterBOC-D-ASPARAGINE-ONPAKOS027327966FD21199BS-48856

Show more names

OC-ASP-OHBOC-ASN-ONPBOC-L-ASP-OHBOC-ASPARTIC ACIDBOC-ASPARAGINE-ONPBoc-Asn-Onp, 98.5%BOC-L-ASPARTIC ACIDBOC-ASP-OH USP/EP/BPBOC-L-ASPARTIC ACID-OHBOC-asparagine-ONP USP/EP/BP

FB111203SY3775484-nitrophenyl (tert-butoxycarbonyl)-D-asparaginateN-ALPHA-T-BOC-D-ASPARAGINE P-NITROPHENYL ESTERN-alpha-t-Butyloxycarbonyl-D-asparagine p-nitrophenyl esterT-BUTYLOXYCARBONYL-D-ASPARAGINE P-NITROPHENYL ESTERN-ALPHA-T-BUTOXYCARBONYL-D-ASPARAGINE P-NITROPHENYL ESTER(4-nitrophenyl) (2R)-4-amino-2-(tert-butoxycarbonylamino)-4-oxo-butanoate

Database identifiers

CAS: 4587-33-1
PubChem CID: 78334

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 154 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 516

Physicochemical properties

Melting point: 116 · 116-118 °C(lit.)
Boiling point: 609.3 · 609.3±55.0 °C(Predicted)
Density: 1.318 · 1.318±0.06 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
solubility: slightly sol. in Methanol
pka: 10.57 · 10.57±0.46(Predicted)
form: Powder
color: White to off-white
InChI: InChI=1S/C15H19N3O7/c1-15(2,3)25-14(21)17-11(8-12(16)19)13(20)24-10-6-4-9(5-7-10)18(22)23/h4-7,11H,8H2,1-3H3,(H2,16,19)(H,17,21)/t11-/m0/s1
InChIKey: IAPXDJMULQXGDD-NSHDSACASA-N
SMILES: C(OC1=CC=C([N+]([O-])=O)C=C1)(=O)[C@H](CC(N)=O)NC(OC(C)(C)C)=O
CAS DataBase Reference: 4587 · 4587-33-1(CAS DataBase Reference)
EPA Substance Registry System: 2 · L-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester (4587-33-1)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
F: 8 · 8
TSCA: TSCA listed
HS Code: 29242990 · 29242990

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

F: 8
wgk: 3
tsca: TSCA listed
hs_code: 29242990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H302
Precautionary statements: P264-P270-P301+P312-P330

Chemistry & industry

Applications

UsesBoc-Asn-ONp, is an Asparagine derivative used in peptide chemistry.

Upstream & downstream products

Downstream products

BOC-L-Asparagine 4-Nitrophenol

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Additional notes

DefinitionChEBI: Boc-Asn-OPhNO2 is a L-asparagine derivative, a primary carboxamide, a carbamate ester and a C-nitro compound. It is functionally related to a 4-nitrophenol.

Related reactions

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